CID 178244141

1-oxido-3h-imidazo[1,2-b]pyrazol-1-ium

Structural Information

Molecular Formula
C5H5N3O
SMILES
C1C=[N+](C2=CC=NN21)[O-]
InChI
InChI=1S/C5H5N3O/c9-8-4-3-7-5(8)1-2-6-7/h1-2,4H,3H2
InChIKey
BNOWKZQIUKWUGV-UHFFFAOYSA-N
Compound name
1-oxido-3H-imidazo[1,2-b]pyrazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.04326 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.050536 121.4
[M+Na]+ 146.032478 131.9
[M-H]- 122.035984 121.6
[M+NH4]+ 141.077083 143.3
[M+K]+ 162.006418 126.1
[M+H-H2O]+ 106.040520 119.4
[M+HCOO]- 168.041461 144.1
[M+CH3COO]- 182.057111 159.2
[M+Na-2H]- 144.017926 130.6
[M]+ 123.04271142 119.5
[M]- 123.04380858 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.